[(2S)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate

Systemtic Name: [(2S)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate Openeye Name: [(1S)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [(2S)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [(1S)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C14H15F3N2O6 MolecularWeight: 364.27391

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOCC(=O)O[C@@H](C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H15F3N2O6/c1-3-24-7-12(20)25-8(2)13(21)18-11-5-4-9(19(22)23)6-10(11)14(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,21)/t8-/m0/s1